CID 12532687

1,4-dioxaspiro[4.5]decan-7-ol

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CC(CC2(C1)OCCO2)O
InChI
InChI=1S/C8H14O3/c9-7-2-1-3-8(6-7)10-4-5-11-8/h7,9H,1-6H2
InChIKey
PSVNKCBWGVVNNM-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

158.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.0
[M+Na]+ 181.08352 137.2
[M-H]- 157.08702 136.8
[M+NH4]+ 176.12812 153.2
[M+K]+ 197.05746 138.4
[M+H-H2O]+ 141.09156 127.6
[M+HCOO]- 203.09250 149.1
[M+CH3COO]- 217.10815 169.2
[M+Na-2H]- 179.06897 138.9
[M]+ 158.09375 127.3
[M]- 158.09485 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe